3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride

C10H21ClO4S — CID 165499020

IUPAC3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride
SMILESCOCC(OCC(C)CS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C10H21ClO4S/c1-8(2)10(6-14-4)15-5-9(3)7-16(11,12)13/h8-10H,5-7H2,1-4H3
InChIKeyISBIMARRCUILJU-UHFFFAOYSA-N
MW272.79 g/mol
LogP1.88
Rot. Bonds8

About 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride

3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride (PubChem CID 165499020) has the molecular formula C10H21ClO4S and a molecular weight of 272.79 g/mol. Its IUPAC name is 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride
PubChem CID165499020
Molecular FormulaC10H21ClO4S
Molecular Weight272.79 g/mol
Exact Mass272.08
IUPAC Name3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride
SMILESCOCC(OCC(C)CS(=O)(=O)Cl)C(C)C
InChIInChI=1S/C10H21ClO4S/c1-8(2)10(6-14-4)15-5-9(3)7-16(11,12)13/h8-10H,5-7H2,1-4H3
InChIKeyISBIMARRCUILJU-UHFFFAOYSA-N
XLogP1.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.79
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropane-1-sulfonyl chloride
CID 104567582
2-methoxy-3-methylbutane-1-sulfonyl chloride
CID 105453266
CID 59124402
CID 59124402
(2S)-3-chloro-2-methylpropane-1-sulfonyl chloride
CID 10375280
3-methoxy-2-methylpropane-1-sulfonic acid
CID 118939015
2-(1-methoxypropan-2-yloxymethyl)pentane-1-sulfonyl chloride
CID 65013161
3,3,3-trifluoro-2-(methoxymethyl)propane-1-sulfonyl chloride
CID 170915267
3-methyl-2-(pentan-3-yloxymethyl)butane-1-sulfonyl chloride
CID 165492223
1,3-dimethoxypropane-2-sulfonyl chloride
CID 122163174
1-fluoro-4-[(3-methoxy-2-methylpropyl)sulfonylmethyl]benzene
CID 167792527
(2S)-2-ethyl-4-methoxybutane-1-sulfonyl chloride
CID 98469102
3-[(5-fluoro-3-pyridinyl)oxy]-2-methylpropane-1-sulfonyl chloride
CID 165492974

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride?
The IUPAC name of 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride (CID 165499020) is 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride.
What is the SMILES notation for 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride?
The canonical SMILES for 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride is COCC(OCC(C)CS(=O)(=O)Cl)C(C)C.
What is the InChIKey of 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride?
The InChIKey is ISBIMARRCUILJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO4S/c1-8(2)10(6-14-4)15-5-9(3)7-16(11,12)13/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride?
3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride has a molecular weight of 272.79 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-3-methylbutan-2-yl)oxy-2-methylpropane-1-sulfonyl chloride is sourced from PubChem (CID 165499020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).